USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot 69:sc= 1.55 USER MOD Set 1.2: A 42 SER OG : rot 54:sc= 0.447 USER MOD Set 2.1: A 3 SER OG : rot -129:sc= 1.33 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.0503 USER MOD Single : A 4 THR OG1 : rot 13:sc= 0.924 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 166:sc= -0.0049 (180deg=-0.342) USER MOD Single : A 13 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.0006) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.48 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 1.85 (180deg=1.77) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.413 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 86:sc= -0.113 USER MOD Single : A 26 SER OG : rot -43:sc= 0.95 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 177:sc= 1.16 USER MOD Single : A 33 SER OG : rot 40:sc= 1.21 USER MOD Single : A 40 ASN : amide:sc= 0.0887 X(o=0.089,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0.8 (180deg=0.798) USER MOD Single : A 65 SER OG : rot 114:sc= 1.72 USER MOD Single : A 69 TYR OH : rot 173:sc= -0.0846 USER MOD Single : A 72 SER OG : rot 68:sc= 0.375 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.764 -11.840 -6.147 1.00 0.00 N ATOM 16 CA ASP A 2 -10.343 -10.749 -5.289 1.00 0.00 C ATOM 17 C ASP A 2 -10.183 -9.458 -6.114 1.00 0.00 C ATOM 18 O ASP A 2 -10.028 -9.483 -7.336 1.00 0.00 O ATOM 19 CB ASP A 2 -9.043 -11.141 -4.584 1.00 0.00 C ATOM 20 CG ASP A 2 -9.247 -12.295 -3.596 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.700 -11.998 -2.462 1.00 0.00 O ATOM 22 OD2 ASP A 2 -8.939 -13.447 -3.961 1.00 0.00 O ATOM 0 HA ASP A 2 -11.100 -10.555 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.300 -11.429 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.644 -10.276 -4.053 1.00 0.00 H new ATOM 27 N SER A 3 -10.224 -8.313 -5.439 1.00 0.00 N ATOM 28 CA SER A 3 -9.861 -7.023 -6.019 1.00 0.00 C ATOM 29 C SER A 3 -8.353 -6.766 -5.865 1.00 0.00 C ATOM 30 O SER A 3 -7.623 -7.519 -5.217 1.00 0.00 O ATOM 31 CB SER A 3 -10.686 -5.911 -5.366 1.00 0.00 C ATOM 32 OG SER A 3 -10.540 -4.676 -6.045 1.00 0.00 O ATOM 0 H SER A 3 -10.513 -8.254 -4.463 1.00 0.00 H new ATOM 0 HA SER A 3 -10.084 -7.035 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.738 -6.198 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.378 -5.793 -4.327 1.00 0.00 H new ATOM 0 HG SER A 3 -10.306 -3.975 -5.402 1.00 0.00 H new ATOM 38 N THR A 4 -7.861 -5.680 -6.464 1.00 0.00 N ATOM 39 CA THR A 4 -6.430 -5.366 -6.603 1.00 0.00 C ATOM 40 C THR A 4 -6.251 -3.902 -6.970 1.00 0.00 C ATOM 41 O THR A 4 -7.098 -3.312 -7.638 1.00 0.00 O ATOM 42 CB THR A 4 -5.771 -6.320 -7.614 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.573 -7.546 -6.972 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.393 -5.894 -8.128 1.00 0.00 C ATOM 0 H THR A 4 -8.463 -4.970 -6.880 1.00 0.00 H new ATOM 0 HA THR A 4 -5.925 -5.520 -5.650 1.00 0.00 H new ATOM 0 HB THR A 4 -6.444 -6.343 -8.471 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.073 -7.559 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.022 -6.637 -8.834 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.473 -4.928 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.701 -5.812 -7.290 1.00 0.00 H new ATOM 52 N ALA A 5 -5.148 -3.315 -6.509 1.00 0.00 N ATOM 53 CA ALA A 5 -4.765 -1.932 -6.747 1.00 0.00 C ATOM 54 C ALA A 5 -3.250 -1.731 -6.570 1.00 0.00 C ATOM 55 O ALA A 5 -2.578 -2.518 -5.887 1.00 0.00 O ATOM 56 CB ALA A 5 -5.555 -1.032 -5.792 1.00 0.00 C ATOM 0 H ALA A 5 -4.470 -3.816 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.000 -1.666 -7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.278 0.009 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.622 -1.157 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.328 -1.307 -4.762 1.00 0.00 H new ATOM 62 N THR A 6 -2.741 -0.641 -7.158 1.00 0.00 N ATOM 63 CA THR A 6 -1.336 -0.234 -7.099 1.00 0.00 C ATOM 64 C THR A 6 -1.226 1.192 -6.595 1.00 0.00 C ATOM 65 O THR A 6 -1.944 2.087 -7.043 1.00 0.00 O ATOM 66 CB THR A 6 -0.670 -0.316 -8.468 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.889 -1.594 -9.013 1.00 0.00 O ATOM 68 CG2 THR A 6 0.836 -0.083 -8.369 1.00 0.00 C ATOM 0 H THR A 6 -3.316 0.000 -7.704 1.00 0.00 H new ATOM 0 HA THR A 6 -0.830 -0.918 -6.418 1.00 0.00 H new ATOM 0 HB THR A 6 -1.104 0.458 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.464 -1.651 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.280 -0.148 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.024 0.906 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.280 -0.840 -7.723 1.00 0.00 H new ATOM 76 N PHE A 7 -0.266 1.391 -5.701 1.00 0.00 N ATOM 77 CA PHE A 7 -0.004 2.655 -5.026 1.00 0.00 C ATOM 78 C PHE A 7 1.486 2.977 -5.020 1.00 0.00 C ATOM 79 O PHE A 7 2.339 2.100 -4.880 1.00 0.00 O ATOM 80 CB PHE A 7 -0.517 2.627 -3.581 1.00 0.00 C ATOM 81 CG PHE A 7 -1.931 2.085 -3.420 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.188 0.696 -3.363 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.017 2.981 -3.425 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.503 0.220 -3.363 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.333 2.498 -3.426 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.578 1.118 -3.399 1.00 0.00 C ATOM 0 H PHE A 7 0.374 0.650 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.535 3.429 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.161 2.020 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.482 3.639 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.364 -0.001 -3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.835 4.046 -3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.691 -0.843 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.161 3.191 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.593 0.748 -3.406 1.00 0.00 H new ATOM 96 N ILE A 8 1.800 4.260 -5.112 1.00 0.00 N ATOM 97 CA ILE A 8 3.134 4.807 -4.966 1.00 0.00 C ATOM 98 C ILE A 8 3.139 5.817 -3.840 1.00 0.00 C ATOM 99 O ILE A 8 2.163 6.520 -3.599 1.00 0.00 O ATOM 100 CB ILE A 8 3.578 5.408 -6.315 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.110 5.475 -6.370 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.963 6.792 -6.582 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.659 5.334 -7.787 1.00 0.00 C ATOM 0 H ILE A 8 1.099 4.977 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 8 3.852 4.031 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 8 3.210 4.752 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.443 6.424 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.526 4.686 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.311 7.165 -7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.876 6.711 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.265 7.483 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.747 5.389 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.353 4.373 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.269 6.139 -8.410 1.00 0.00 H new ATOM 115 N ILE A 9 4.252 5.856 -3.131 1.00 0.00 N ATOM 116 CA ILE A 9 4.503 6.782 -2.045 1.00 0.00 C ATOM 117 C ILE A 9 5.484 7.848 -2.550 1.00 0.00 C ATOM 118 O ILE A 9 6.070 7.702 -3.617 1.00 0.00 O ATOM 119 CB ILE A 9 5.041 5.968 -0.843 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.208 4.688 -0.545 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.056 6.829 0.426 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.664 3.412 -1.238 1.00 0.00 C ATOM 0 H ILE A 9 5.032 5.222 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 9 3.604 7.301 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 9 6.049 5.662 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.218 4.516 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.173 4.880 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.437 6.240 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.698 7.696 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.043 7.164 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.008 2.589 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.625 3.551 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.686 3.181 -0.939 1.00 0.00 H new ATOM 134 N ASP A 10 5.681 8.922 -1.806 1.00 0.00 N ATOM 135 CA ASP A 10 6.763 9.883 -2.051 1.00 0.00 C ATOM 136 C ASP A 10 7.140 10.564 -0.729 1.00 0.00 C ATOM 137 O ASP A 10 6.256 11.057 -0.037 1.00 0.00 O ATOM 138 CB ASP A 10 6.337 10.868 -3.154 1.00 0.00 C ATOM 139 CG ASP A 10 7.333 11.067 -4.302 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.457 10.506 -4.275 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.915 11.762 -5.257 1.00 0.00 O ATOM 0 H ASP A 10 5.095 9.161 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 10 7.660 9.382 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.392 10.524 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.146 11.837 -2.693 1.00 0.00 H new ATOM 146 N GLY A 11 8.422 10.519 -0.351 1.00 0.00 N ATOM 147 CA GLY A 11 8.920 10.926 0.981 1.00 0.00 C ATOM 148 C GLY A 11 9.281 9.739 1.882 1.00 0.00 C ATOM 149 O GLY A 11 9.851 9.901 2.958 1.00 0.00 O ATOM 0 H GLY A 11 9.163 10.193 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.799 11.558 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.160 11.531 1.476 1.00 0.00 H new ATOM 153 N MET A 12 8.986 8.520 1.429 1.00 0.00 N ATOM 154 CA MET A 12 9.392 7.261 2.053 1.00 0.00 C ATOM 155 C MET A 12 10.920 7.150 2.202 1.00 0.00 C ATOM 156 O MET A 12 11.678 7.489 1.301 1.00 0.00 O ATOM 157 CB MET A 12 8.777 6.087 1.271 1.00 0.00 C ATOM 158 CG MET A 12 9.309 5.906 -0.153 1.00 0.00 C ATOM 159 SD MET A 12 8.849 7.213 -1.323 1.00 0.00 S ATOM 160 CE MET A 12 10.456 7.960 -1.693 1.00 0.00 C ATOM 0 H MET A 12 8.435 8.377 0.583 1.00 0.00 H new ATOM 0 HA MET A 12 9.008 7.230 3.073 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.954 5.167 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.697 6.228 1.224 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.396 5.844 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.950 4.952 -0.539 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.366 8.600 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.785 8.556 -0.842 1.00 0.00 H new ATOM 0 HE3 MET A 12 11.186 7.175 -1.889 1.00 0.00 H new ATOM 170 N HIS A 13 11.366 6.587 3.327 1.00 0.00 N ATOM 171 CA HIS A 13 12.773 6.647 3.760 1.00 0.00 C ATOM 172 C HIS A 13 13.831 6.215 2.727 1.00 0.00 C ATOM 173 O HIS A 13 14.846 6.896 2.626 1.00 0.00 O ATOM 174 CB HIS A 13 12.970 5.804 5.033 1.00 0.00 C ATOM 175 CG HIS A 13 12.178 6.196 6.259 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.265 5.595 7.496 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.263 7.208 6.378 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.409 6.212 8.327 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.770 7.196 7.684 1.00 0.00 N ATOM 0 H HIS A 13 10.763 6.073 3.969 1.00 0.00 H new ATOM 0 HA HIS A 13 12.945 7.710 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.727 4.769 4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.028 5.830 5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.973 7.896 5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.258 5.951 9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.060 7.817 8.073 1.00 0.00 H new ATOM 187 N CYS A 14 13.629 5.078 2.033 1.00 0.00 N ATOM 188 CA CYS A 14 14.600 4.411 1.137 1.00 0.00 C ATOM 189 C CYS A 14 14.279 2.940 0.862 1.00 0.00 C ATOM 190 O CYS A 14 14.034 2.536 -0.271 1.00 0.00 O ATOM 191 CB CYS A 14 16.072 4.511 1.634 1.00 0.00 C ATOM 192 SG CYS A 14 16.308 3.984 3.370 1.00 0.00 S ATOM 0 H CYS A 14 12.743 4.574 2.083 1.00 0.00 H new ATOM 0 HA CYS A 14 14.500 4.969 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.704 3.900 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.411 5.541 1.528 1.00 0.00 H new ATOM 0 HG CYS A 14 17.562 4.100 3.692 1.00 0.00 H new ATOM 198 N LYS A 15 14.358 2.137 1.918 1.00 0.00 N ATOM 199 CA LYS A 15 14.373 0.674 1.916 1.00 0.00 C ATOM 200 C LYS A 15 13.505 0.160 3.066 1.00 0.00 C ATOM 201 O LYS A 15 12.487 -0.473 2.812 1.00 0.00 O ATOM 202 CB LYS A 15 15.856 0.236 2.044 1.00 0.00 C ATOM 203 CG LYS A 15 16.432 -0.527 0.838 1.00 0.00 C ATOM 204 CD LYS A 15 16.485 0.294 -0.462 1.00 0.00 C ATOM 205 CE LYS A 15 15.349 -0.105 -1.412 1.00 0.00 C ATOM 206 NZ LYS A 15 14.988 0.962 -2.378 1.00 0.00 N ATOM 0 H LYS A 15 14.417 2.515 2.864 1.00 0.00 H new ATOM 0 HA LYS A 15 13.958 0.255 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.465 1.124 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.955 -0.392 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.439 -0.864 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.831 -1.420 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.412 1.356 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.446 0.141 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.642 -0.999 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.469 -0.366 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.301 0.591 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.568 1.765 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.842 1.279 -2.880 1.00 0.00 H new ATOM 220 N SER A 16 13.797 0.534 4.312 1.00 0.00 N ATOM 221 CA SER A 16 13.019 0.135 5.499 1.00 0.00 C ATOM 222 C SER A 16 11.538 0.522 5.416 1.00 0.00 C ATOM 223 O SER A 16 10.729 -0.106 6.081 1.00 0.00 O ATOM 224 CB SER A 16 13.638 0.756 6.767 1.00 0.00 C ATOM 225 OG SER A 16 15.030 1.011 6.610 1.00 0.00 O ATOM 0 H SER A 16 14.592 1.132 4.535 1.00 0.00 H new ATOM 0 HA SER A 16 13.062 -0.953 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.123 1.687 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.485 0.084 7.612 1.00 0.00 H new ATOM 0 HG SER A 16 15.385 1.406 7.434 1.00 0.00 H new ATOM 231 N CYS A 17 11.160 1.484 4.562 1.00 0.00 N ATOM 232 CA CYS A 17 9.774 1.775 4.224 1.00 0.00 C ATOM 233 C CYS A 17 9.063 0.534 3.683 1.00 0.00 C ATOM 234 O CYS A 17 8.001 0.210 4.194 1.00 0.00 O ATOM 235 CB CYS A 17 9.756 2.964 3.247 1.00 0.00 C ATOM 236 SG CYS A 17 10.964 2.813 1.894 1.00 0.00 S ATOM 0 H CYS A 17 11.827 2.088 4.082 1.00 0.00 H new ATOM 0 HA CYS A 17 9.214 2.057 5.116 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.757 3.059 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.956 3.882 3.801 1.00 0.00 H new ATOM 0 HG CYS A 17 10.880 3.853 1.119 1.00 0.00 H new ATOM 242 N VAL A 18 9.677 -0.160 2.727 1.00 0.00 N ATOM 243 CA VAL A 18 9.101 -1.240 1.915 1.00 0.00 C ATOM 244 C VAL A 18 8.528 -2.355 2.802 1.00 0.00 C ATOM 245 O VAL A 18 7.356 -2.704 2.687 1.00 0.00 O ATOM 246 CB VAL A 18 10.199 -1.777 0.952 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.764 -2.975 0.114 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.672 -0.664 -0.006 1.00 0.00 C ATOM 0 H VAL A 18 10.649 0.025 2.480 1.00 0.00 H new ATOM 0 HA VAL A 18 8.268 -0.854 1.327 1.00 0.00 H new ATOM 0 HB VAL A 18 11.007 -2.109 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.587 -3.287 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.486 -3.798 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.908 -2.697 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.440 -1.059 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.827 -0.309 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.084 0.163 0.572 1.00 0.00 H new ATOM 258 N SER A 19 9.333 -2.813 3.759 1.00 0.00 N ATOM 259 CA SER A 19 8.985 -3.901 4.691 1.00 0.00 C ATOM 260 C SER A 19 7.830 -3.532 5.639 1.00 0.00 C ATOM 261 O SER A 19 6.944 -4.348 5.905 1.00 0.00 O ATOM 262 CB SER A 19 10.266 -4.198 5.483 1.00 0.00 C ATOM 263 OG SER A 19 10.109 -5.221 6.447 1.00 0.00 O ATOM 0 H SER A 19 10.267 -2.435 3.917 1.00 0.00 H new ATOM 0 HA SER A 19 8.630 -4.770 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.056 -4.483 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.595 -3.286 5.982 1.00 0.00 H new ATOM 0 HG SER A 19 10.958 -5.363 6.915 1.00 0.00 H new ATOM 269 N ASN A 20 7.748 -2.273 6.078 1.00 0.00 N ATOM 270 CA ASN A 20 6.570 -1.813 6.817 1.00 0.00 C ATOM 271 C ASN A 20 5.299 -1.870 5.963 1.00 0.00 C ATOM 272 O ASN A 20 4.230 -2.197 6.468 1.00 0.00 O ATOM 273 CB ASN A 20 6.737 -0.364 7.236 1.00 0.00 C ATOM 274 CG ASN A 20 7.933 -0.085 8.118 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.236 -0.781 9.072 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.657 0.961 7.781 1.00 0.00 N ATOM 0 H ASN A 20 8.469 -1.565 5.938 1.00 0.00 H new ATOM 0 HA ASN A 20 6.477 -2.475 7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.815 0.251 6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.836 -0.048 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.488 1.202 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.387 1.531 6.979 1.00 0.00 H new ATOM 283 N ILE A 21 5.390 -1.511 4.675 1.00 0.00 N ATOM 284 CA ILE A 21 4.201 -1.453 3.811 1.00 0.00 C ATOM 285 C ILE A 21 3.676 -2.860 3.526 1.00 0.00 C ATOM 286 O ILE A 21 2.467 -3.024 3.427 1.00 0.00 O ATOM 287 CB ILE A 21 4.408 -0.621 2.526 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.487 0.479 2.691 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.032 -0.083 2.086 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.429 1.636 1.691 1.00 0.00 C ATOM 0 H ILE A 21 6.263 -1.259 4.212 1.00 0.00 H new ATOM 0 HA ILE A 21 3.433 -0.912 4.364 1.00 0.00 H new ATOM 0 HB ILE A 21 4.809 -1.253 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.406 0.891 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.468 0.011 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.146 0.510 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.360 -0.919 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.615 0.541 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.231 2.342 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.547 1.249 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.468 2.143 1.776 1.00 0.00 H new ATOM 302 N GLU A 22 4.552 -3.867 3.492 1.00 0.00 N ATOM 303 CA GLU A 22 4.162 -5.279 3.504 1.00 0.00 C ATOM 304 C GLU A 22 3.360 -5.585 4.777 1.00 0.00 C ATOM 305 O GLU A 22 2.216 -6.035 4.715 1.00 0.00 O ATOM 306 CB GLU A 22 5.429 -6.149 3.464 1.00 0.00 C ATOM 307 CG GLU A 22 6.031 -6.258 2.073 1.00 0.00 C ATOM 308 CD GLU A 22 7.392 -6.947 2.155 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.388 -8.197 2.169 1.00 0.00 O ATOM 310 OE2 GLU A 22 8.409 -6.221 2.258 1.00 0.00 O ATOM 0 H GLU A 22 5.561 -3.724 3.455 1.00 0.00 H new ATOM 0 HA GLU A 22 3.541 -5.496 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.172 -5.731 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.189 -7.148 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.365 -6.823 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.140 -5.266 1.635 1.00 0.00 H new ATOM 317 N SER A 23 3.943 -5.314 5.947 1.00 0.00 N ATOM 318 CA SER A 23 3.356 -5.734 7.222 1.00 0.00 C ATOM 319 C SER A 23 2.079 -5.003 7.639 1.00 0.00 C ATOM 320 O SER A 23 1.186 -5.627 8.215 1.00 0.00 O ATOM 321 CB SER A 23 4.389 -5.534 8.331 1.00 0.00 C ATOM 322 OG SER A 23 3.888 -6.042 9.560 1.00 0.00 O ATOM 0 H SER A 23 4.822 -4.805 6.038 1.00 0.00 H new ATOM 0 HA SER A 23 3.075 -6.777 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.318 -6.041 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.623 -4.474 8.434 1.00 0.00 H new ATOM 0 HG SER A 23 4.556 -5.911 10.265 1.00 0.00 H new ATOM 328 N THR A 24 2.023 -3.682 7.445 1.00 0.00 N ATOM 329 CA THR A 24 0.909 -2.825 7.865 1.00 0.00 C ATOM 330 C THR A 24 -0.297 -3.026 6.969 1.00 0.00 C ATOM 331 O THR A 24 -1.425 -2.984 7.451 1.00 0.00 O ATOM 332 CB THR A 24 1.377 -1.362 7.925 1.00 0.00 C ATOM 333 OG1 THR A 24 2.336 -1.304 8.952 1.00 0.00 O ATOM 334 CG2 THR A 24 0.263 -0.377 8.280 1.00 0.00 C ATOM 0 H THR A 24 2.770 -3.166 6.980 1.00 0.00 H new ATOM 0 HA THR A 24 0.588 -3.106 8.868 1.00 0.00 H new ATOM 0 HB THR A 24 1.751 -1.078 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.216 -1.543 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.666 0.635 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.527 -0.435 7.531 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.146 -0.628 9.259 1.00 0.00 H new ATOM 342 N LEU A 25 -0.067 -3.275 5.679 1.00 0.00 N ATOM 343 CA LEU A 25 -1.120 -3.666 4.754 1.00 0.00 C ATOM 344 C LEU A 25 -1.536 -5.109 4.972 1.00 0.00 C ATOM 345 O LEU A 25 -2.722 -5.331 5.165 1.00 0.00 O ATOM 346 CB LEU A 25 -0.695 -3.421 3.305 1.00 0.00 C ATOM 347 CG LEU A 25 -0.650 -1.950 2.824 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.972 -1.612 2.128 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.338 -0.905 3.911 1.00 0.00 C ATOM 0 H LEU A 25 0.856 -3.210 5.251 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.990 -3.041 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.296 -3.853 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.377 -3.969 2.655 1.00 0.00 H new ATOM 0 HG LEU A 25 0.193 -1.888 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.949 -0.577 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.113 -2.274 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.796 -1.744 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.331 0.091 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.100 -0.950 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.638 -1.115 4.348 1.00 0.00 H new ATOM 361 N SER A 26 -0.627 -6.093 4.995 1.00 0.00 N ATOM 362 CA SER A 26 -1.011 -7.523 5.052 1.00 0.00 C ATOM 363 C SER A 26 -1.597 -7.957 6.415 1.00 0.00 C ATOM 364 O SER A 26 -1.693 -9.149 6.719 1.00 0.00 O ATOM 365 CB SER A 26 0.169 -8.426 4.669 1.00 0.00 C ATOM 366 OG SER A 26 -0.265 -9.770 4.555 1.00 0.00 O ATOM 0 H SER A 26 0.380 -5.932 4.975 1.00 0.00 H new ATOM 0 HA SER A 26 -1.811 -7.641 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.600 -8.093 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.954 -8.351 5.422 1.00 0.00 H new ATOM 0 HG SER A 26 -0.860 -9.986 5.303 1.00 0.00 H new ATOM 372 N ALA A 27 -1.999 -6.988 7.236 1.00 0.00 N ATOM 373 CA ALA A 27 -2.688 -7.154 8.508 1.00 0.00 C ATOM 374 C ALA A 27 -4.159 -6.702 8.433 1.00 0.00 C ATOM 375 O ALA A 27 -4.885 -6.832 9.419 1.00 0.00 O ATOM 376 CB ALA A 27 -1.905 -6.341 9.550 1.00 0.00 C ATOM 0 H ALA A 27 -1.841 -6.005 7.013 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.720 -8.208 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.387 -6.436 10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.884 -6.717 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.888 -5.292 9.255 1.00 0.00 H new ATOM 382 N LEU A 28 -4.621 -6.131 7.307 1.00 0.00 N ATOM 383 CA LEU A 28 -5.956 -5.545 7.235 1.00 0.00 C ATOM 384 C LEU A 28 -6.998 -6.661 7.087 1.00 0.00 C ATOM 385 O LEU A 28 -6.894 -7.505 6.198 1.00 0.00 O ATOM 386 CB LEU A 28 -6.040 -4.525 6.085 1.00 0.00 C ATOM 387 CG LEU A 28 -5.022 -3.369 6.175 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.809 -2.733 4.796 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.483 -2.300 7.168 1.00 0.00 C ATOM 0 H LEU A 28 -4.086 -6.067 6.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.166 -5.003 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.892 -5.049 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.046 -4.105 6.062 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.079 -3.787 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.088 -1.920 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.431 -3.485 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.757 -2.342 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.745 -1.499 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.442 -1.894 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.591 -2.745 8.157 1.00 0.00 H new ATOM 401 N GLN A 29 -8.046 -6.640 7.912 1.00 0.00 N ATOM 402 CA GLN A 29 -9.055 -7.708 7.945 1.00 0.00 C ATOM 403 C GLN A 29 -9.770 -7.924 6.594 1.00 0.00 C ATOM 404 O GLN A 29 -10.343 -8.987 6.389 1.00 0.00 O ATOM 405 CB GLN A 29 -10.032 -7.425 9.103 1.00 0.00 C ATOM 406 CG GLN A 29 -11.005 -8.589 9.379 1.00 0.00 C ATOM 407 CD GLN A 29 -11.814 -8.427 10.667 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.642 -7.508 11.449 1.00 0.00 O ATOM 409 NE2 GLN A 29 -12.730 -9.328 10.950 1.00 0.00 N ATOM 0 H GLN A 29 -8.222 -5.886 8.576 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.550 -8.657 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.461 -7.216 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.606 -6.527 8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.693 -8.682 8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.439 -9.519 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.893 -10.107 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.277 -9.248 11.807 1.00 0.00 H new ATOM 418 N TYR A 30 -9.702 -6.964 5.665 1.00 0.00 N ATOM 419 CA TYR A 30 -10.197 -7.101 4.291 1.00 0.00 C ATOM 420 C TYR A 30 -9.158 -7.463 3.209 1.00 0.00 C ATOM 421 O TYR A 30 -9.577 -7.659 2.071 1.00 0.00 O ATOM 422 CB TYR A 30 -10.913 -5.802 3.884 1.00 0.00 C ATOM 423 CG TYR A 30 -10.201 -4.487 4.189 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.883 -4.237 3.745 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.880 -3.486 4.916 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.294 -2.982 3.965 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.274 -2.242 5.174 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.977 -1.976 4.683 1.00 0.00 C ATOM 429 OH TYR A 30 -8.400 -0.762 4.907 1.00 0.00 O ATOM 0 H TYR A 30 -9.292 -6.049 5.852 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.864 -7.962 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.102 -5.843 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.884 -5.783 4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.329 -5.012 3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.879 -3.677 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.305 -2.783 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.800 -1.492 5.746 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.017 -0.196 5.416 1.00 0.00 H new ATOM 439 N VAL A 31 -7.842 -7.489 3.465 1.00 0.00 N ATOM 440 CA VAL A 31 -6.859 -7.692 2.376 1.00 0.00 C ATOM 441 C VAL A 31 -6.525 -9.182 2.239 1.00 0.00 C ATOM 442 O VAL A 31 -6.422 -9.897 3.232 1.00 0.00 O ATOM 443 CB VAL A 31 -5.619 -6.776 2.475 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.701 -7.168 3.585 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.728 -6.731 1.222 1.00 0.00 C ATOM 0 H VAL A 31 -7.434 -7.375 4.393 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.327 -7.375 1.444 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.081 -5.802 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.847 -6.491 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.234 -7.113 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.351 -8.188 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.887 -6.060 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.354 -7.732 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.310 -6.370 0.374 1.00 0.00 H new ATOM 455 N SER A 32 -6.380 -9.648 1.002 1.00 0.00 N ATOM 456 CA SER A 32 -6.155 -11.055 0.654 1.00 0.00 C ATOM 457 C SER A 32 -4.668 -11.354 0.412 1.00 0.00 C ATOM 458 O SER A 32 -4.241 -12.497 0.547 1.00 0.00 O ATOM 459 CB SER A 32 -6.947 -11.395 -0.622 1.00 0.00 C ATOM 460 OG SER A 32 -8.304 -11.016 -0.511 1.00 0.00 O ATOM 0 H SER A 32 -6.416 -9.040 0.184 1.00 0.00 H new ATOM 0 HA SER A 32 -6.491 -11.664 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.496 -10.889 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.883 -12.466 -0.816 1.00 0.00 H new ATOM 0 HG SER A 32 -8.765 -11.199 -1.356 1.00 0.00 H new ATOM 466 N SER A 33 -3.870 -10.341 0.049 1.00 0.00 N ATOM 467 CA SER A 33 -2.488 -10.443 -0.436 1.00 0.00 C ATOM 468 C SER A 33 -1.868 -9.080 -0.796 1.00 0.00 C ATOM 469 O SER A 33 -2.516 -8.034 -0.835 1.00 0.00 O ATOM 470 CB SER A 33 -2.419 -11.395 -1.641 1.00 0.00 C ATOM 471 OG SER A 33 -2.273 -12.725 -1.196 1.00 0.00 O ATOM 0 H SER A 33 -4.190 -9.373 0.088 1.00 0.00 H new ATOM 0 HA SER A 33 -1.897 -10.844 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.324 -11.301 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.581 -11.123 -2.282 1.00 0.00 H new ATOM 0 HG SER A 33 -2.830 -12.867 -0.402 1.00 0.00 H new ATOM 477 N ILE A 34 -0.578 -9.097 -1.107 1.00 0.00 N ATOM 478 CA ILE A 34 0.280 -7.937 -1.371 1.00 0.00 C ATOM 479 C ILE A 34 1.618 -8.383 -1.974 1.00 0.00 C ATOM 480 O ILE A 34 2.061 -9.504 -1.745 1.00 0.00 O ATOM 481 CB ILE A 34 0.466 -7.080 -0.086 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.273 -5.790 -0.363 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.120 -7.880 1.056 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.132 -4.733 0.733 1.00 0.00 C ATOM 0 H ILE A 34 -0.065 -9.975 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.209 -7.299 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.536 -6.794 0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.326 -6.047 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.947 -5.364 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.230 -7.241 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.492 -8.735 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.102 -8.231 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.725 -3.856 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.085 -4.447 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.486 -5.141 1.680 1.00 0.00 H new ATOM 496 N VAL A 35 2.223 -7.484 -2.743 1.00 0.00 N ATOM 497 CA VAL A 35 3.592 -7.489 -3.270 1.00 0.00 C ATOM 498 C VAL A 35 4.073 -6.041 -3.215 1.00 0.00 C ATOM 499 O VAL A 35 3.277 -5.110 -3.337 1.00 0.00 O ATOM 500 CB VAL A 35 3.645 -8.021 -4.726 1.00 0.00 C ATOM 501 CG1 VAL A 35 4.960 -7.709 -5.471 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.476 -9.545 -4.731 1.00 0.00 C ATOM 0 H VAL A 35 1.721 -6.649 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 35 4.226 -8.150 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 35 2.835 -7.507 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.912 -8.117 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.102 -6.629 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.796 -8.160 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.514 -9.912 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.279 -10.002 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.515 -9.806 -4.288 1.00 0.00 H new ATOM 512 N VAL A 36 5.375 -5.828 -3.066 1.00 0.00 N ATOM 513 CA VAL A 36 5.958 -4.478 -3.081 1.00 0.00 C ATOM 514 C VAL A 36 7.279 -4.439 -3.856 1.00 0.00 C ATOM 515 O VAL A 36 7.992 -5.433 -3.980 1.00 0.00 O ATOM 516 CB VAL A 36 6.047 -3.912 -1.643 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.078 -4.684 -0.823 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.329 -2.402 -1.585 1.00 0.00 C ATOM 0 H VAL A 36 6.057 -6.574 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 36 5.295 -3.810 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 36 5.058 -4.049 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.125 -4.271 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.790 -5.734 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.056 -4.599 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.377 -2.081 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.280 -2.190 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.531 -1.863 -2.095 1.00 0.00 H new ATOM 528 N SER A 37 7.568 -3.272 -4.422 1.00 0.00 N ATOM 529 CA SER A 37 8.818 -2.974 -5.119 1.00 0.00 C ATOM 530 C SER A 37 9.941 -2.797 -4.087 1.00 0.00 C ATOM 531 O SER A 37 9.824 -1.934 -3.221 1.00 0.00 O ATOM 532 CB SER A 37 8.670 -1.670 -5.938 1.00 0.00 C ATOM 533 OG SER A 37 7.412 -1.543 -6.588 1.00 0.00 O ATOM 0 H SER A 37 6.921 -2.483 -4.409 1.00 0.00 H new ATOM 0 HA SER A 37 9.057 -3.796 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.814 -0.817 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.461 -1.630 -6.686 1.00 0.00 H new ATOM 0 HG SER A 37 6.711 -1.402 -5.918 1.00 0.00 H new ATOM 539 N LEU A 38 11.048 -3.552 -4.169 1.00 0.00 N ATOM 540 CA LEU A 38 12.201 -3.275 -3.298 1.00 0.00 C ATOM 541 C LEU A 38 13.041 -2.106 -3.811 1.00 0.00 C ATOM 542 O LEU A 38 13.444 -1.281 -3.006 1.00 0.00 O ATOM 543 CB LEU A 38 13.074 -4.520 -3.052 1.00 0.00 C ATOM 544 CG LEU A 38 13.301 -4.797 -1.548 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.046 -6.125 -1.373 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.096 -3.683 -0.843 1.00 0.00 C ATOM 0 H LEU A 38 11.169 -4.337 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 38 11.783 -2.984 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.600 -5.388 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.038 -4.386 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 38 12.315 -4.839 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.204 -6.316 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.455 -6.933 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.010 -6.071 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.222 -3.936 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.075 -3.582 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.555 -2.741 -0.927 1.00 0.00 H new ATOM 558 N GLU A 39 13.317 -2.000 -5.114 1.00 0.00 N ATOM 559 CA GLU A 39 13.975 -0.830 -5.687 1.00 0.00 C ATOM 560 C GLU A 39 13.108 0.415 -5.453 1.00 0.00 C ATOM 561 O GLU A 39 13.501 1.328 -4.726 1.00 0.00 O ATOM 562 CB GLU A 39 14.189 -1.066 -7.191 1.00 0.00 C ATOM 563 CG GLU A 39 15.064 0.019 -7.820 1.00 0.00 C ATOM 564 CD GLU A 39 14.803 0.120 -9.319 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.687 -0.954 -9.946 1.00 0.00 O ATOM 566 OE2 GLU A 39 14.605 1.263 -9.788 1.00 0.00 O ATOM 0 H GLU A 39 13.090 -2.723 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 39 14.942 -0.671 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.653 -2.040 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.223 -1.091 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.860 0.979 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.116 -0.207 -7.643 1.00 0.00 H new ATOM 573 N ASN A 40 11.918 0.407 -6.057 1.00 0.00 N ATOM 574 CA ASN A 40 11.029 1.557 -6.151 1.00 0.00 C ATOM 575 C ASN A 40 10.122 1.733 -4.934 1.00 0.00 C ATOM 576 O ASN A 40 9.967 0.860 -4.088 1.00 0.00 O ATOM 577 CB ASN A 40 10.220 1.492 -7.457 1.00 0.00 C ATOM 578 CG ASN A 40 11.075 2.117 -8.537 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.093 3.335 -8.669 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.867 1.301 -9.199 1.00 0.00 N ATOM 0 H ASN A 40 11.539 -0.427 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 40 11.660 2.445 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.975 0.460 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.276 2.028 -7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.543 1.675 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.805 0.294 -9.046 1.00 0.00 H new ATOM 587 N ARG A 41 9.472 2.893 -4.871 1.00 0.00 N ATOM 588 CA ARG A 41 8.604 3.276 -3.763 1.00 0.00 C ATOM 589 C ARG A 41 7.119 2.935 -3.971 1.00 0.00 C ATOM 590 O ARG A 41 6.263 3.777 -3.725 1.00 0.00 O ATOM 591 CB ARG A 41 8.840 4.749 -3.424 1.00 0.00 C ATOM 592 CG ARG A 41 8.565 5.800 -4.511 1.00 0.00 C ATOM 593 CD ARG A 41 9.788 6.328 -5.262 1.00 0.00 C ATOM 594 NE ARG A 41 9.626 7.773 -5.529 1.00 0.00 N ATOM 595 CZ ARG A 41 10.252 8.517 -6.428 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.088 8.010 -7.314 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.031 9.812 -6.428 1.00 0.00 N ATOM 0 H ARG A 41 9.535 3.603 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 41 8.880 2.665 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.222 4.994 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.879 4.856 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.876 5.370 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.055 6.645 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.689 6.156 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.912 5.787 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 41 8.945 8.259 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.274 7.007 -7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.548 8.621 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.391 10.220 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.500 10.409 -7.109 1.00 0.00 H new ATOM 611 N SER A 42 6.780 1.737 -4.449 1.00 0.00 N ATOM 612 CA SER A 42 5.398 1.365 -4.802 1.00 0.00 C ATOM 613 C SER A 42 5.010 -0.074 -4.427 1.00 0.00 C ATOM 614 O SER A 42 5.831 -0.993 -4.491 1.00 0.00 O ATOM 615 CB SER A 42 5.152 1.534 -6.311 1.00 0.00 C ATOM 616 OG SER A 42 6.275 1.190 -7.116 1.00 0.00 O ATOM 0 H SER A 42 7.456 0.989 -4.605 1.00 0.00 H new ATOM 0 HA SER A 42 4.778 2.043 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.303 0.915 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.876 2.569 -6.511 1.00 0.00 H new ATOM 0 HG SER A 42 6.573 0.284 -6.892 1.00 0.00 H new ATOM 622 N ALA A 43 3.721 -0.277 -4.141 1.00 0.00 N ATOM 623 CA ALA A 43 3.102 -1.523 -3.679 1.00 0.00 C ATOM 624 C ALA A 43 1.931 -1.929 -4.584 1.00 0.00 C ATOM 625 O ALA A 43 1.141 -1.084 -5.000 1.00 0.00 O ATOM 626 CB ALA A 43 2.620 -1.294 -2.238 1.00 0.00 C ATOM 0 H ALA A 43 3.037 0.474 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 43 3.827 -2.336 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.153 -2.204 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.470 -1.035 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.895 -0.480 -2.222 1.00 0.00 H new ATOM 632 N ILE A 44 1.800 -3.227 -4.853 1.00 0.00 N ATOM 633 CA ILE A 44 0.672 -3.856 -5.550 1.00 0.00 C ATOM 634 C ILE A 44 -0.050 -4.689 -4.490 1.00 0.00 C ATOM 635 O ILE A 44 0.536 -5.605 -3.912 1.00 0.00 O ATOM 636 CB ILE A 44 1.186 -4.701 -6.735 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.934 -3.806 -7.754 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.002 -5.415 -7.408 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.714 -4.597 -8.809 1.00 0.00 C ATOM 0 H ILE A 44 2.511 -3.905 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.015 -3.132 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 44 1.888 -5.449 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.213 -3.160 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.624 -3.156 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.359 -6.012 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.493 -6.065 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.713 -4.674 -7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.212 -3.905 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.459 -5.223 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.026 -5.227 -9.373 1.00 0.00 H new ATOM 651 N VAL A 45 -1.293 -4.336 -4.184 1.00 0.00 N ATOM 652 CA VAL A 45 -2.044 -4.825 -3.016 1.00 0.00 C ATOM 653 C VAL A 45 -3.347 -5.472 -3.490 1.00 0.00 C ATOM 654 O VAL A 45 -4.020 -4.909 -4.351 1.00 0.00 O ATOM 655 CB VAL A 45 -2.354 -3.656 -2.070 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.947 -4.201 -0.760 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.136 -2.772 -1.741 1.00 0.00 C ATOM 0 H VAL A 45 -1.829 -3.682 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.446 -5.563 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.066 -3.020 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.167 -3.372 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.865 -4.747 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.229 -4.871 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.440 -1.970 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.367 -3.377 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.739 -2.343 -2.661 1.00 0.00 H new ATOM 667 N VAL A 46 -3.706 -6.627 -2.928 1.00 0.00 N ATOM 668 CA VAL A 46 -4.774 -7.512 -3.416 1.00 0.00 C ATOM 669 C VAL A 46 -5.769 -7.737 -2.269 1.00 0.00 C ATOM 670 O VAL A 46 -5.397 -8.319 -1.261 1.00 0.00 O ATOM 671 CB VAL A 46 -4.124 -8.849 -3.862 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.125 -9.884 -4.386 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.991 -8.661 -4.892 1.00 0.00 C ATOM 0 H VAL A 46 -3.248 -6.988 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.305 -7.078 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.693 -9.242 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.593 -10.790 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.845 -10.122 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.650 -9.477 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.579 -9.634 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.387 -8.175 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.205 -8.042 -4.459 1.00 0.00 H new ATOM 683 N TYR A 47 -7.011 -7.258 -2.372 1.00 0.00 N ATOM 684 CA TYR A 47 -7.986 -7.200 -1.261 1.00 0.00 C ATOM 685 C TYR A 47 -9.369 -7.774 -1.616 1.00 0.00 C ATOM 686 O TYR A 47 -9.774 -7.753 -2.777 1.00 0.00 O ATOM 687 CB TYR A 47 -8.099 -5.752 -0.755 1.00 0.00 C ATOM 688 CG TYR A 47 -8.703 -4.766 -1.746 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.925 -4.302 -2.823 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.029 -4.306 -1.602 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.442 -3.368 -3.733 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.564 -3.382 -2.525 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.767 -2.902 -3.588 1.00 0.00 C ATOM 694 OH TYR A 47 -10.278 -2.025 -4.493 1.00 0.00 O ATOM 0 H TYR A 47 -7.383 -6.889 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.605 -7.843 -0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.703 -5.747 0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.105 -5.402 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.917 -4.670 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.636 -4.662 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.827 -3.006 -4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.583 -3.042 -2.419 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.201 -1.805 -4.250 1.00 0.00 H new ATOM 704 N ASN A 48 -10.131 -8.256 -0.629 1.00 0.00 N ATOM 705 CA ASN A 48 -11.393 -8.943 -0.892 1.00 0.00 C ATOM 706 C ASN A 48 -12.567 -7.955 -0.839 1.00 0.00 C ATOM 707 O ASN A 48 -12.886 -7.418 0.223 1.00 0.00 O ATOM 708 CB ASN A 48 -11.595 -10.103 0.094 1.00 0.00 C ATOM 709 CG ASN A 48 -12.671 -11.053 -0.414 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.844 -10.920 -0.098 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.308 -11.996 -1.265 1.00 0.00 N ATOM 0 H ASN A 48 -9.893 -8.181 0.360 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.355 -9.364 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.658 -10.643 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.878 -9.712 1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.009 -12.620 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.327 -12.100 -1.523 1.00 0.00 H new ATOM 780 N PRO A 54 -10.054 1.482 -3.703 1.00 0.00 N ATOM 781 CA PRO A 54 -8.614 1.464 -3.458 1.00 0.00 C ATOM 782 C PRO A 54 -8.168 2.503 -2.421 1.00 0.00 C ATOM 783 O PRO A 54 -7.079 2.371 -1.862 1.00 0.00 O ATOM 784 CB PRO A 54 -7.972 1.737 -4.824 1.00 0.00 C ATOM 785 CG PRO A 54 -9.012 2.598 -5.534 1.00 0.00 C ATOM 786 CD PRO A 54 -10.310 1.958 -5.060 1.00 0.00 C ATOM 0 HA PRO A 54 -8.309 0.506 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.019 2.257 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.775 0.813 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.942 3.647 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.907 2.558 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.127 2.679 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.600 1.135 -5.713 1.00 0.00 H new ATOM 794 N GLU A 55 -8.982 3.519 -2.114 1.00 0.00 N ATOM 795 CA GLU A 55 -8.634 4.492 -1.078 1.00 0.00 C ATOM 796 C GLU A 55 -8.678 3.898 0.333 1.00 0.00 C ATOM 797 O GLU A 55 -8.292 4.575 1.284 1.00 0.00 O ATOM 798 CB GLU A 55 -9.512 5.752 -1.051 1.00 0.00 C ATOM 799 CG GLU A 55 -10.205 6.175 -2.344 1.00 0.00 C ATOM 800 CD GLU A 55 -11.456 5.320 -2.466 1.00 0.00 C ATOM 801 OE1 GLU A 55 -12.387 5.573 -1.678 1.00 0.00 O ATOM 802 OE2 GLU A 55 -11.382 4.312 -3.198 1.00 0.00 O ATOM 0 H GLU A 55 -9.881 3.687 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.619 4.774 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.282 5.606 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.891 6.584 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.461 7.234 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.549 6.026 -3.202 1.00 0.00 H new ATOM 809 N SER A 56 -9.177 2.683 0.521 1.00 0.00 N ATOM 810 CA SER A 56 -9.024 1.995 1.801 1.00 0.00 C ATOM 811 C SER A 56 -7.560 1.622 2.044 1.00 0.00 C ATOM 812 O SER A 56 -6.971 1.946 3.079 1.00 0.00 O ATOM 813 CB SER A 56 -9.898 0.730 1.821 1.00 0.00 C ATOM 814 OG SER A 56 -9.609 -0.144 0.732 1.00 0.00 O ATOM 0 H SER A 56 -9.687 2.156 -0.188 1.00 0.00 H new ATOM 0 HA SER A 56 -9.344 2.668 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.744 0.199 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.949 1.017 1.785 1.00 0.00 H new ATOM 0 HG SER A 56 -10.186 -0.935 0.785 1.00 0.00 H new ATOM 820 N LEU A 57 -6.945 0.998 1.040 1.00 0.00 N ATOM 821 CA LEU A 57 -5.542 0.637 1.051 1.00 0.00 C ATOM 822 C LEU A 57 -4.655 1.882 1.058 1.00 0.00 C ATOM 823 O LEU A 57 -3.742 1.921 1.876 1.00 0.00 O ATOM 824 CB LEU A 57 -5.249 -0.271 -0.142 1.00 0.00 C ATOM 825 CG LEU A 57 -6.093 -1.564 -0.209 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.641 -2.346 -1.439 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.975 -2.431 1.050 1.00 0.00 C ATOM 0 H LEU A 57 -7.425 0.727 0.182 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.313 0.090 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.410 0.297 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.194 -0.546 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.145 -1.288 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.218 -3.267 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.799 -1.742 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.582 -2.588 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.592 -3.322 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.935 -2.725 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.314 -1.863 1.916 1.00 0.00 H new ATOM 839 N ARG A 58 -4.939 2.922 0.251 1.00 0.00 N ATOM 840 CA ARG A 58 -4.190 4.184 0.312 1.00 0.00 C ATOM 841 C ARG A 58 -4.015 4.701 1.742 1.00 0.00 C ATOM 842 O ARG A 58 -2.896 4.950 2.173 1.00 0.00 O ATOM 843 CB ARG A 58 -4.756 5.243 -0.647 1.00 0.00 C ATOM 844 CG ARG A 58 -5.700 6.332 -0.135 1.00 0.00 C ATOM 845 CD ARG A 58 -5.970 7.410 -1.207 1.00 0.00 C ATOM 846 NE ARG A 58 -4.873 8.393 -1.287 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.591 9.286 -0.341 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.355 9.464 0.705 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.485 9.982 -0.357 1.00 0.00 N ATOM 0 H ARG A 58 -5.681 2.910 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.183 3.963 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.906 5.746 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.280 4.710 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.643 5.880 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.269 6.800 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.101 6.932 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.903 7.925 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.291 8.388 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.202 8.908 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.104 10.159 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.809 9.848 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.298 10.659 0.383 1.00 0.00 H new ATOM 863 N LYS A 59 -5.109 4.769 2.501 1.00 0.00 N ATOM 864 CA LYS A 59 -5.096 5.125 3.918 1.00 0.00 C ATOM 865 C LYS A 59 -4.307 4.150 4.805 1.00 0.00 C ATOM 866 O LYS A 59 -3.610 4.619 5.699 1.00 0.00 O ATOM 867 CB LYS A 59 -6.536 5.290 4.434 1.00 0.00 C ATOM 868 CG LYS A 59 -6.978 6.764 4.451 1.00 0.00 C ATOM 869 CD LYS A 59 -7.628 7.171 3.122 1.00 0.00 C ATOM 870 CE LYS A 59 -9.154 7.053 3.291 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.855 6.816 2.011 1.00 0.00 N ATOM 0 H LYS A 59 -6.044 4.575 2.142 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.565 6.074 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.215 4.715 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.610 4.878 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.683 6.924 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.116 7.401 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.350 8.191 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.282 6.527 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.377 6.237 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.536 7.967 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.874 6.711 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.695 7.622 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.489 5.948 1.570 1.00 0.00 H new ATOM 885 N ALA A 60 -4.349 2.834 4.567 1.00 0.00 N ATOM 886 CA ALA A 60 -3.487 1.912 5.315 1.00 0.00 C ATOM 887 C ALA A 60 -1.990 2.176 5.064 1.00 0.00 C ATOM 888 O ALA A 60 -1.181 2.063 5.981 1.00 0.00 O ATOM 889 CB ALA A 60 -3.883 0.481 4.967 1.00 0.00 C ATOM 0 H ALA A 60 -4.957 2.391 3.878 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.634 2.076 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.250 -0.216 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.925 0.316 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.757 0.319 3.897 1.00 0.00 H new ATOM 895 N ILE A 61 -1.630 2.597 3.843 1.00 0.00 N ATOM 896 CA ILE A 61 -0.268 3.032 3.506 1.00 0.00 C ATOM 897 C ILE A 61 0.056 4.359 4.187 1.00 0.00 C ATOM 898 O ILE A 61 1.045 4.422 4.913 1.00 0.00 O ATOM 899 CB ILE A 61 -0.032 3.086 1.970 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.387 1.767 1.257 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.429 3.465 1.670 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.267 1.796 -0.269 1.00 0.00 C ATOM 0 H ILE A 61 -2.279 2.645 3.058 1.00 0.00 H new ATOM 0 HA ILE A 61 0.425 2.284 3.890 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.704 3.850 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.261 0.979 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.409 1.495 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.582 3.500 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.647 4.443 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.095 2.721 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.538 0.821 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.937 2.556 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.760 2.032 -0.549 1.00 0.00 H new ATOM 914 N GLU A 62 -0.779 5.391 4.037 1.00 0.00 N ATOM 915 CA GLU A 62 -0.604 6.666 4.734 1.00 0.00 C ATOM 916 C GLU A 62 -0.399 6.445 6.238 1.00 0.00 C ATOM 917 O GLU A 62 0.440 7.109 6.831 1.00 0.00 O ATOM 918 CB GLU A 62 -1.817 7.588 4.519 1.00 0.00 C ATOM 919 CG GLU A 62 -1.988 8.100 3.083 1.00 0.00 C ATOM 920 CD GLU A 62 -3.308 8.844 2.857 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.384 8.207 2.939 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.271 10.019 2.418 1.00 0.00 O ATOM 0 H GLU A 62 -1.596 5.365 3.428 1.00 0.00 H new ATOM 0 HA GLU A 62 0.283 7.143 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.720 7.051 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.728 8.445 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.159 8.764 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.932 7.256 2.395 1.00 0.00 H new ATOM 929 N ALA A 63 -1.064 5.453 6.842 1.00 0.00 N ATOM 930 CA ALA A 63 -1.020 5.176 8.279 1.00 0.00 C ATOM 931 C ALA A 63 0.258 4.470 8.761 1.00 0.00 C ATOM 932 O ALA A 63 0.368 4.174 9.949 1.00 0.00 O ATOM 933 CB ALA A 63 -2.283 4.389 8.659 1.00 0.00 C ATOM 0 H ALA A 63 -1.663 4.805 6.330 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.994 6.136 8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.269 4.172 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.166 4.981 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.311 3.454 8.100 1.00 0.00 H new ATOM 939 N VAL A 64 1.222 4.238 7.867 1.00 0.00 N ATOM 940 CA VAL A 64 2.515 3.613 8.186 1.00 0.00 C ATOM 941 C VAL A 64 3.616 4.651 8.365 1.00 0.00 C ATOM 942 O VAL A 64 4.565 4.447 9.117 1.00 0.00 O ATOM 943 CB VAL A 64 2.907 2.548 7.140 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.759 3.002 5.969 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.707 1.460 7.847 1.00 0.00 C ATOM 0 H VAL A 64 1.127 4.483 6.881 1.00 0.00 H new ATOM 0 HA VAL A 64 2.395 3.102 9.141 1.00 0.00 H new ATOM 0 HB VAL A 64 1.954 2.232 6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.959 2.154 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.229 3.774 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.702 3.404 6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.996 0.695 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.602 1.897 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.096 1.010 8.630 1.00 0.00 H new ATOM 955 N SER A 65 3.495 5.788 7.680 1.00 0.00 N ATOM 956 CA SER A 65 4.313 6.973 7.918 1.00 0.00 C ATOM 957 C SER A 65 3.501 8.256 7.620 1.00 0.00 C ATOM 958 O SER A 65 3.760 8.969 6.645 1.00 0.00 O ATOM 959 CB SER A 65 5.692 6.875 7.244 1.00 0.00 C ATOM 960 OG SER A 65 6.113 5.555 6.926 1.00 0.00 O ATOM 0 H SER A 65 2.813 5.912 6.931 1.00 0.00 H new ATOM 0 HA SER A 65 4.565 7.035 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.675 7.465 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.434 7.328 7.901 1.00 0.00 H new ATOM 0 HG SER A 65 6.165 5.454 5.953 1.00 0.00 H new ATOM 966 N PRO A 66 2.461 8.530 8.438 1.00 0.00 N ATOM 967 CA PRO A 66 1.541 9.647 8.246 1.00 0.00 C ATOM 968 C PRO A 66 2.254 10.993 8.338 1.00 0.00 C ATOM 969 O PRO A 66 3.152 11.183 9.156 1.00 0.00 O ATOM 970 CB PRO A 66 0.438 9.487 9.302 1.00 0.00 C ATOM 971 CG PRO A 66 1.065 8.578 10.357 1.00 0.00 C ATOM 972 CD PRO A 66 1.960 7.681 9.509 1.00 0.00 C ATOM 0 HA PRO A 66 1.110 9.633 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.148 10.449 9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.461 9.042 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.635 9.142 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.314 8.007 10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.779 7.272 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.401 6.834 9.110 1.00 0.00 H new ATOM 980 N GLY A 67 1.855 11.920 7.460 1.00 0.00 N ATOM 981 CA GLY A 67 2.501 13.227 7.274 1.00 0.00 C ATOM 982 C GLY A 67 3.732 13.181 6.359 1.00 0.00 C ATOM 983 O GLY A 67 4.081 14.205 5.779 1.00 0.00 O ATOM 0 H GLY A 67 1.055 11.780 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.775 13.925 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.797 13.618 8.247 1.00 0.00 H new ATOM 987 N LEU A 68 4.354 12.008 6.204 1.00 0.00 N ATOM 988 CA LEU A 68 5.541 11.781 5.371 1.00 0.00 C ATOM 989 C LEU A 68 5.198 11.172 4.001 1.00 0.00 C ATOM 990 O LEU A 68 5.912 11.370 3.024 1.00 0.00 O ATOM 991 CB LEU A 68 6.474 10.864 6.181 1.00 0.00 C ATOM 992 CG LEU A 68 7.835 10.574 5.530 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.616 11.863 5.269 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.637 9.677 6.472 1.00 0.00 C ATOM 0 H LEU A 68 4.034 11.160 6.671 1.00 0.00 H new ATOM 0 HA LEU A 68 6.024 12.731 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.646 11.318 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.964 9.917 6.356 1.00 0.00 H new ATOM 0 HG LEU A 68 7.670 10.084 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.574 11.621 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.044 12.506 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.788 12.382 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.608 9.459 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.780 10.186 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.096 8.745 6.636 1.00 0.00 H new ATOM 1006 N TYR A 69 4.113 10.400 3.930 1.00 0.00 N ATOM 1007 CA TYR A 69 3.745 9.593 2.762 1.00 0.00 C ATOM 1008 C TYR A 69 2.799 10.302 1.757 1.00 0.00 C ATOM 1009 O TYR A 69 1.579 10.337 1.932 1.00 0.00 O ATOM 1010 CB TYR A 69 3.147 8.268 3.280 1.00 0.00 C ATOM 1011 CG TYR A 69 4.121 7.132 3.562 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.497 7.340 3.796 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.639 5.813 3.484 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.362 6.239 3.951 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.508 4.715 3.533 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.876 4.922 3.802 1.00 0.00 C ATOM 1017 OH TYR A 69 6.708 3.857 3.959 1.00 0.00 O ATOM 0 H TYR A 69 3.449 10.315 4.700 1.00 0.00 H new ATOM 0 HA TYR A 69 4.647 9.413 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.599 8.480 4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.419 7.916 2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.888 8.345 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.577 5.643 3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.403 6.403 4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.132 3.716 3.366 1.00 0.00 H new ATOM 0 HH TYR A 69 6.185 3.028 3.941 1.00 0.00 H new ATOM 1027 N ARG A 70 3.334 10.731 0.603 1.00 0.00 N ATOM 1028 CA ARG A 70 2.611 11.265 -0.579 1.00 0.00 C ATOM 1029 C ARG A 70 1.781 10.219 -1.369 1.00 0.00 C ATOM 1030 O ARG A 70 1.868 10.130 -2.597 1.00 0.00 O ATOM 1031 CB ARG A 70 3.634 11.934 -1.488 1.00 0.00 C ATOM 1032 CG ARG A 70 3.004 12.892 -2.511 1.00 0.00 C ATOM 1033 CD ARG A 70 3.737 12.740 -3.825 1.00 0.00 C ATOM 1034 NE ARG A 70 3.030 13.310 -4.977 1.00 0.00 N ATOM 1035 CZ ARG A 70 3.410 13.119 -6.237 1.00 0.00 C ATOM 1036 NH1 ARG A 70 4.576 12.596 -6.565 1.00 0.00 N ATOM 1037 NH2 ARG A 70 2.594 13.450 -7.214 1.00 0.00 N ATOM 0 H ARG A 70 4.343 10.717 0.454 1.00 0.00 H new ATOM 0 HA ARG A 70 1.869 11.973 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.348 12.485 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.196 11.165 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.945 12.666 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.070 13.921 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.714 13.216 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.914 11.680 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 70 2.204 13.883 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.233 12.318 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.820 12.470 -7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.680 13.849 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.876 13.308 -8.184 1.00 0.00 H new ATOM 1051 N VAL A 71 0.984 9.398 -0.691 1.00 0.00 N ATOM 1052 CA VAL A 71 0.350 8.211 -1.305 1.00 0.00 C ATOM 1053 C VAL A 71 -0.577 8.547 -2.465 1.00 0.00 C ATOM 1054 O VAL A 71 -1.566 9.265 -2.323 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.378 7.286 -0.309 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.748 5.934 -0.944 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.525 7.050 0.903 1.00 0.00 C ATOM 0 H VAL A 71 0.754 9.526 0.294 1.00 0.00 H new ATOM 0 HA VAL A 71 1.203 7.657 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.305 7.774 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.259 5.314 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.406 6.101 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.158 5.429 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.018 6.397 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.454 6.582 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.747 8.003 1.382 1.00 0.00 H new ATOM 1067 N SER A 72 -0.247 7.975 -3.615 1.00 0.00 N ATOM 1068 CA SER A 72 -0.935 8.177 -4.880 1.00 0.00 C ATOM 1069 C SER A 72 -1.163 6.833 -5.598 1.00 0.00 C ATOM 1070 O SER A 72 -0.411 5.885 -5.419 1.00 0.00 O ATOM 1071 CB SER A 72 -0.090 9.123 -5.732 1.00 0.00 C ATOM 1072 OG SER A 72 0.133 10.371 -5.084 1.00 0.00 O ATOM 0 H SER A 72 0.540 7.331 -3.694 1.00 0.00 H new ATOM 0 HA SER A 72 -1.918 8.616 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.868 8.653 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.588 9.294 -6.686 1.00 0.00 H new ATOM 0 HG SER A 72 0.707 10.235 -4.301 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.205 6.729 -6.419 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.502 5.547 -7.252 1.00 0.00 C ATOM 1080 C ILE A 73 -1.824 5.738 -8.603 1.00 0.00 C ATOM 1081 O ILE A 73 -1.982 6.795 -9.213 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.036 5.353 -7.380 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.666 5.123 -5.984 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.392 4.178 -8.313 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.195 4.996 -5.971 1.00 0.00 C ATOM 0 H ILE A 73 -2.888 7.478 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.113 4.638 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.443 6.264 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.238 4.217 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.380 5.950 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.476 4.077 -8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.988 4.368 -9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.964 3.257 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.538 4.837 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.639 5.910 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.495 4.150 -6.590 1.00 0.00 H new ATOM 1097 N THR A 74 -1.083 4.725 -9.061 1.00 0.00 N ATOM 1098 CA THR A 74 -0.491 4.680 -10.399 1.00 0.00 C ATOM 1099 C THR A 74 -1.189 3.609 -11.227 1.00 0.00 C ATOM 1100 O THR A 74 -1.154 2.424 -10.902 1.00 0.00 O ATOM 1101 CB THR A 74 1.034 4.542 -10.314 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.532 4.551 -11.629 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.563 3.305 -9.583 1.00 0.00 C ATOM 0 H THR A 74 -0.875 3.898 -8.501 1.00 0.00 H new ATOM 0 HA THR A 74 -0.654 5.621 -10.925 1.00 0.00 H new ATOM 0 HB THR A 74 1.381 5.380 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.508 4.466 -11.610 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.653 3.318 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.205 3.310 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.208 2.406 -10.086 1.00 0.00 H new